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Basic information
- CAS
554436-89-4- Standard SMILES
Cc1sc2nc(CCl)[nH]c(=O)c2c1-c1ccccc1- InChIKey
BQSWUMCOPXLJJR-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2OS
- Average molar mass
- 290.8 g/mol
- Monoisotopic mass
- 290.0280618
Names & identifiers
- Preferred name
- 2-(chloromethyl)-6-methyl-5-phenyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
- IUPAC
- 2-(chloromethyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
Names & synonyms
2-(chloromethyl)-6-methyl-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one554436-89-42-(chloromethyl)-6-methyl-5-phenyl-3H,4H-thieno(2,3-d)pyrimidin-4-oneRefChem:460324866-460-72-(chloromethyl)-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one2-Chloromethyl-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-oneEnamine_005530SCHEMBL71309BQSWUMCOPXLJJR-UHFFFAOYSA-NHMS1409L08EXA43689
Show more names
AKOS000116523EN300-06145G21259Z559962562-(chloromethyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Database identifiers
- CAS
554436-89-4- PubChem CID
- 2393069
- EC Number
- 866-460-7
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 395
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Related reactions
2 records
Compound notes
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